相关数据集
Semantic Interoperability and Characterization of Data Provenance in Computational Molecular Engineering
By introducing a common representational system for metadata that describe the employed simulation workflows, diverse sources of data and platforms in computational molecular engineering, such as work
Figshare2019-12-19 更新10
Structural Insights into the Interaction Between Adenovirus 5C Hexon and Human Lactoferrin
Adenovirus (AdV) infection of the respiratory epithelium is common but poorly understood. Human infective species C AdVs, such as HAdV-C5, utilise the Coxsackie-Adenovirus receptor (CAR) for attachmen
NIAID Data Ecosystem00
NMR solution structure of the protein coded by gene RHOS4_12090 of Rhodobacter sphaeroides. Northeast Structural Genomics target RhR5
NMR solution structure of the protein coded by gene RHOS4_12090 of Rhodobacter sphaeroides. Northeast Structural Genomics target RhR5
NIAID Data Ecosystem00
Molecular dynamics simulation trajectories and analysis data for Foldback intercoil (FBI) DNA recombination intermediates
This archive contains the complete FBI molecular dynamics simulation dataset. The dataset includes representative structural models, curated GROMACS simulation input files, raw molecular dynamics tra
Zenodo2026-06-17 更新00
doGlycans–Tools for Preparing Carbohydrate Structures for Atomistic Simulations of Glycoproteins, Glycolipids, and Carbohydrate Polymers for GROMACS
Carbohydrates constitute a structurally and functionally diverse group of biological molecules and macromolecules. In cells they are involved in, e.g., energy storage, signaling, and cell–cell recogni
Figshare2017-10-24 更新00
